#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jnj s SER 2 N 0.00 6.89 -0.02 1.61 0.01 -1.26 -4.86 113.70 116.07 2jnj s SER 2 Ca 0.00 1.85 0.02 0.00 1.31 0.00 0.00 55.95 59.12 2jnj s SER 2 Cb 0.00 -2.54 -0.25 0.00 0.21 0.00 0.00 66.02 63.44 2jnj s SER 2 CO 0.00 -0.78 0.77 0.45 0.41 0.00 0.00 173.24 174.09 2jnj h HIS 3 N 8.40 0.28 0.00 2.43 -0.00 -2.02 -3.46 115.15 120.78 2jnj h HIS 3 Ca -0.30 -0.21 0.00 0.00 -0.00 0.00 0.00 60.37 59.86 2jnj h HIS 3 Cb 1.13 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.53 2jnj h HIS 3 CO 0.81 1.30 0.00 0.00 -0.00 0.00 0.00 177.93 180.04 2jnj n MET 4 N -3.33 0.00 -1.50 2.45 -0.00 -1.26 -5.11 117.12 108.37 2jnj n MET 4 Ca -0.17 0.00 -0.41 0.00 -0.00 0.00 0.00 57.70 57.12 2jnj n MET 4 Cb 1.04 0.00 -0.10 0.00 -0.00 0.00 0.00 33.22 34.16 2jnj n MET 4 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 2jnj n VAL 5 N 0.00 -0.01 -3.66 3.17 0.31 -1.26 -4.86 118.33 112.02 2jnj n VAL 5 Ca 0.00 -0.32 -0.13 0.00 -0.01 0.00 0.00 64.34 63.88 2jnj n VAL 5 Cb 0.00 -1.45 -0.13 0.00 -0.91 0.00 0.00 33.84 31.35 2jnj n VAL 5 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 2jnj s ASN 6 N 9.88 0.29 -0.11 4.52 0.01 -1.26 -5.12 114.94 123.16 2jnj s ASN 6 Ca 1.19 0.63 0.02 0.00 -0.71 0.00 0.00 52.86 53.99 2jnj s ASN 6 Cb -0.84 0.75 -0.01 0.00 0.41 0.00 0.00 41.25 41.57 2jnj s ASN 6 CO 0.41 -0.24 -0.18 0.54 -1.51 0.00 0.00 177.10 176.12 2jnj s VAL 7 N 2.43 2.58 0.04 1.60 0.11 -1.26 -5.11 120.40 120.79 2jnj s VAL 7 Ca 0.01 -0.83 -0.03 0.00 -2.93 0.00 0.00 61.98 58.20 2jnj s VAL 7 Cb -0.12 -2.04 -0.02 0.00 -1.53 0.00 0.00 36.38 32.66 2jnj s VAL 7 CO -0.09 0.54 0.03 -0.22 -3.33 0.00 0.00 175.10 172.03 2jnj s LEU 8 N 0.31 2.15 -0.15 2.54 2.96 -1.26 -5.14 118.68 120.08 2jnj s LEU 8 Ca -0.14 -0.74 0.01 0.00 -0.22 0.00 0.00 54.13 53.04 2jnj s LEU 8 Cb -0.17 0.37 0.01 0.00 0.50 0.00 0.00 46.19 46.90 2jnj s LEU 8 CO 0.07 -0.53 -0.18 -0.75 -1.32 0.00 0.00 176.35 173.64 2jnj s LYS 9 N -3.07 3.11 0.00 1.98 2.36 -1.26 -5.01 119.74 117.85 2jnj s LYS 9 Ca -0.01 -0.80 0.00 0.00 -2.55 0.00 0.00 55.97 52.61 2jnj s LYS 9 Cb 0.02 -2.55 0.00 0.00 -1.05 0.00 0.00 37.83 34.24 2jnj s LYS 9 CO -0.07 -0.03 0.00 0.41 1.55 0.00 0.00 175.35 177.21 2jnj n GLY 10 N 4.17 -0.68 3.41 5.54 0.00 -1.26 -4.83 105.19 111.53 2jnj n GLY 10 Ca -0.20 -0.21 -0.33 0.00 0.00 0.00 0.00 46.02 45.28 2jnj n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jnj s VAL 11 N -3.51 2.96 -0.22 1.61 1.01 0.12 -4.68 120.40 117.69 2jnj s VAL 11 Ca 0.00 -0.73 -0.07 0.00 0.00 0.00 0.00 61.98 61.18 2jnj s VAL 11 Cb 0.00 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 2jnj s VAL 11 CO 0.00 0.56 0.07 -0.22 0.00 0.00 0.00 175.10 175.51 2jnj s LEU 12 N -0.17 3.62 -0.12 3.92 2.96 -1.26 -1.57 118.68 126.07 2jnj s LEU 12 Ca -0.01 -0.07 0.02 0.00 -0.22 0.00 0.00 54.13 53.86 2jnj s LEU 12 Cb -0.13 -1.94 0.01 0.00 0.50 0.00 0.00 46.19 44.62 2jnj s LEU 12 CO 0.03 0.07 -0.19 -0.51 -1.32 0.00 0.00 176.35 174.43 2jnj s ILE 13 N 1.02 1.77 -0.06 6.68 2.07 -0.28 -4.97 121.20 127.42 2jnj s ILE 13 Ca 0.04 -0.81 0.03 0.00 -1.41 0.00 0.00 60.65 58.50 2jnj s ILE 13 Cb -0.14 -1.58 0.01 0.00 0.13 0.00 0.00 42.46 40.88 2jnj s ILE 13 CO 0.03 0.49 -0.15 -0.70 -1.91 0.00 0.00 174.94 172.71 2jnj s GLU 14 N 0.82 1.85 0.17 3.50 2.12 -1.26 -1.56 118.70 124.35 2jnj s GLU 14 Ca -0.09 -0.51 0.00 0.00 0.36 0.00 0.00 54.97 54.73 2jnj s GLU 14 Cb -0.16 -1.53 0.00 0.00 0.26 0.00 0.00 34.13 32.71 2jnj s GLU 14 CO -0.00 0.11 0.00 0.00 -0.54 0.00 0.00 175.26 174.82 2jnj s ASP 16 N -1.37 1.25 0.44 0.00 1.01 -1.26 -5.00 116.67 111.75 2jnj s ASP 16 Ca 0.00 -0.20 0.25 0.00 0.71 0.00 0.00 52.55 53.31 2jnj s ASP 16 Cb 0.00 -0.43 0.65 0.00 1.01 0.00 0.00 42.92 44.15 2jnj s ASP 16 CO 0.00 0.04 1.71 -0.65 0.21 0.00 0.00 175.17 176.48 2jnj h PRO 17 N 6.62 0.00 -0.14 8.23 0.11 -1.83 -2.80 132.00 142.20 2jnj h PRO 17 Ca -0.34 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.72 2jnj h PRO 17 Cb 1.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 2jnj h PRO 17 CO 0.48 0.11 -0.12 0.00 -0.21 0.00 0.00 178.00 178.27 2jnj h ALA 18 N 1.89 0.20 0.00 -0.75 0.00 -1.94 -2.82 119.26 115.83 2jnj h ALA 18 Ca -0.00 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 2jnj h ALA 18 Cb 0.90 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2jnj h ALA 18 CO 0.01 0.05 -0.21 0.00 0.00 0.00 0.00 179.25 179.11 2jnj h MET 19 N -0.05 0.00 -0.51 0.00 -0.00 -1.94 -2.16 114.93 110.26 2jnj h MET 19 Ca 0.02 0.00 0.04 0.00 -0.00 0.00 0.00 59.70 59.77 2jnj h MET 19 Cb 0.63 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 32.19 2jnj h MET 19 CO 0.03 0.21 0.27 -0.22 -0.00 0.00 0.00 176.91 177.19 2jnj h LYS 20 N 0.00 0.50 -0.59 -0.10 3.11 -1.24 0.25 116.57 118.51 2jnj h LYS 20 Ca -0.00 -0.03 -0.07 0.00 -2.81 0.00 0.00 60.65 57.73 2jnj h LYS 20 Cb 0.40 -0.11 -0.02 0.00 -1.00 0.00 0.00 32.23 31.49 2jnj h LYS 20 CO 0.03 0.33 0.07 1.96 -2.81 0.00 0.00 179.45 179.03 2jnj h GLN 21 N 0.52 0.96 -0.70 1.90 1.08 -1.34 -2.22 115.11 115.32 2jnj h GLN 21 Ca 0.22 -0.25 -0.04 0.00 -1.45 0.00 0.00 58.65 57.14 2jnj h GLN 21 Cb 0.12 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 27.41 2jnj h GLN 21 CO -0.15 0.90 0.28 0.35 -0.95 0.00 0.00 178.83 179.26 2jnj h PHE 22 N 0.90 1.03 0.01 2.96 3.57 -0.74 -1.70 116.94 122.98 2jnj h PHE 22 Ca 0.18 -0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.62 2jnj h PHE 22 Cb 0.42 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.85 2jnj h PHE 22 CO 0.03 0.78 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.81 2jnj h LEU 23 N 1.00 -0.01 -0.58 0.59 -0.00 0.03 0.14 115.31 116.48 2jnj h LEU 23 Ca 0.24 -0.07 -0.13 0.00 -0.00 0.00 0.00 57.88 57.91 2jnj h LEU 23 Cb 0.18 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.83 2jnj h LEU 23 CO -0.02 0.07 -0.28 0.17 -0.00 0.00 0.00 178.44 178.37 2jnj h LEU 24 N -0.09 0.87 -0.52 1.67 8.10 -1.47 0.20 115.31 124.07 2jnj h LEU 24 Ca -0.00 -0.35 -0.01 0.00 0.11 0.00 0.00 57.88 57.63 2jnj h LEU 24 Cb 0.08 -0.24 -0.02 0.00 -0.44 0.00 0.00 40.66 40.04 2jnj h LEU 24 CO 0.00 1.09 0.27 0.22 -4.11 0.00 0.00 178.44 175.91 2jnj h TYR 25 N 0.71 0.73 -0.39 0.17 3.20 -1.16 -1.87 116.97 118.36 2jnj h TYR 25 Ca 0.08 -0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.84 2jnj h TYR 25 Cb 0.83 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.86 2jnj h TYR 25 CO 0.05 0.56 -0.10 1.25 -1.64 0.00 0.00 178.16 178.27 2jnj h LEU 26 N 0.69 0.77 -0.64 2.82 7.12 -0.45 -0.23 115.31 125.39 2jnj h LEU 26 Ca 0.18 -0.37 0.01 0.00 0.13 0.00 0.00 57.88 57.84 2jnj h LEU 26 Cb 0.08 -0.21 -0.03 0.00 -0.53 0.00 0.00 40.66 39.97 2jnj h LEU 26 CO -0.03 0.96 0.42 -0.78 -0.13 0.00 0.00 178.44 178.88 2jnj h ASP 27 N 0.57 0.71 0.33 1.25 1.82 -0.39 0.72 116.42 121.43 2jnj h ASP 27 Ca 0.10 -0.01 -0.24 0.00 -0.39 0.00 0.00 57.03 56.49 2jnj h ASP 27 Cb 0.62 -0.17 0.01 0.00 0.68 0.00 0.00 39.33 40.47 2jnj h ASP 27 CO 0.04 0.51 -1.00 1.05 -1.61 0.00 0.00 179.24 178.23 2jnj h GLU 28 N 0.84 0.43 -0.02 0.28 4.11 -1.25 -3.20 114.58 115.78 2jnj h GLU 28 Ca 0.24 -0.49 -0.16 0.00 0.07 0.00 0.00 59.36 59.02 2jnj h GLU 28 Cb -0.07 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 2jnj h GLU 28 CO -0.07 1.15 -0.71 0.77 0.07 0.00 0.00 179.01 180.22 2jnj h SER 29 N 0.23 0.13 -4.51 3.06 0.02 -0.75 -3.48 113.55 108.25 2jnj h SER 29 Ca -0.10 -0.09 -0.19 0.00 -0.84 0.00 0.00 61.79 60.58 2jnj h SER 29 Cb 1.65 -0.04 0.12 0.00 0.14 0.00 0.00 62.40 64.28 2jnj h SER 29 CO 0.18 0.80 -0.54 -3.20 -1.14 0.00 0.00 176.83 172.93 2jnj n ASN 30 N -3.74 -3.73 0.13 3.07 2.85 0.25 -4.95 115.26 109.14 2jnj n ASN 30 Ca -0.02 -0.44 -0.01 0.00 -0.11 0.00 0.00 54.58 54.00 2jnj n ASN 30 Cb 0.69 -3.57 0.23 0.00 1.24 0.00 0.00 39.78 38.38 2jnj n ASN 30 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2jnj h ALA 31 N 0.23 1.11 -0.10 5.20 0.00 -1.88 -3.19 119.26 120.64 2jnj h ALA 31 Ca -0.39 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.06 2jnj h ALA 31 Cb 1.21 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2jnj h ALA 31 CO 0.31 0.63 0.00 1.28 0.00 0.00 0.00 179.25 181.46 2jnj n LEU 32 N -3.96 2.58 -3.87 0.00 4.77 -1.26 -2.07 117.00 113.18 2jnj n LEU 32 Ca -0.02 -0.93 -0.28 0.00 -0.03 0.00 0.00 56.01 54.75 2jnj n LEU 32 Cb 0.52 -0.05 0.03 0.00 -2.33 0.00 0.00 43.42 41.58 2jnj n LEU 32 CO 0.41 0.46 0.06 0.61 -1.33 0.00 0.00 177.39 177.61 2jnj n GLY 33 N 1.31 -0.45 3.22 -0.72 0.00 -1.20 -4.94 105.19 102.41 2jnj n GLY 33 Ca 0.16 0.18 -0.12 0.00 0.00 0.00 0.00 46.02 46.24 2jnj n GLY 33 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jnj s LYS 34 N -6.49 1.25 -0.11 1.61 2.47 -1.26 -5.13 119.74 112.07 2jnj s LYS 34 Ca 0.51 -1.63 -0.01 0.00 -1.56 0.00 0.00 55.97 53.27 2jnj s LYS 34 Cb -0.25 0.28 0.03 0.00 -1.46 0.00 0.00 37.83 36.43 2jnj s LYS 34 CO 0.83 -0.42 -0.02 0.15 0.16 0.00 0.00 175.35 176.05 2jnj s LYS 35 N -4.11 0.97 0.03 4.03 -0.14 -1.26 -4.86 119.74 114.39 2jnj s LYS 35 Ca 0.38 -0.14 0.00 0.00 -1.36 0.00 0.00 55.97 54.85 2jnj s LYS 35 Cb 0.06 -1.42 0.00 0.00 -1.68 0.00 0.00 37.83 34.79 2jnj s LYS 35 CO 0.13 -0.35 0.00 1.97 -0.76 0.00 0.00 175.35 176.33 2jnj n PHE 36 N 5.04 -0.22 -2.78 3.18 -1.74 -1.26 -4.90 117.46 114.79 2jnj n PHE 36 Ca -0.09 0.04 -0.43 0.00 -0.56 0.00 0.00 57.45 56.41 2jnj n PHE 36 Cb 0.49 0.29 -0.04 0.00 1.52 0.00 0.00 39.48 41.74 2jnj n PHE 36 CO 0.00 0.00 0.00 -1.50 -0.56 0.00 0.00 176.76 174.70 2jnj s ILE 37 N -2.00 4.48 -0.14 1.97 -1.16 -1.26 -3.85 121.20 119.25 2jnj s ILE 37 Ca 0.00 1.03 -0.17 0.00 -0.51 0.00 0.00 60.65 61.00 2jnj s ILE 37 Cb 0.00 -4.42 -0.15 0.00 0.61 0.00 0.00 42.46 38.51 2jnj s ILE 37 CO 0.00 -0.72 0.35 0.40 -2.81 0.00 0.00 174.94 172.16 2jnj h ILE 38 N 5.98 0.93 -3.92 2.00 5.03 -1.58 -3.48 117.51 122.47 2jnj h ILE 38 Ca -0.23 -1.77 -0.29 0.00 -0.12 0.00 0.00 64.86 62.45 2jnj h ILE 38 Cb 1.07 1.83 -0.25 0.00 -3.03 0.00 0.00 36.82 36.44 2jnj h ILE 38 CO 1.02 0.31 -0.74 0.00 -0.68 0.00 0.00 178.15 178.07 2jnj s GLN 39 N -2.04 0.42 -0.12 2.37 -2.07 -1.26 -5.03 119.66 111.93 2jnj s GLN 39 Ca -0.14 -0.43 -0.19 0.00 -1.82 0.00 0.00 55.36 52.79 2jnj s GLN 39 Cb -0.00 -0.29 -0.04 0.00 -1.09 0.00 0.00 33.01 31.59 2jnj s GLN 39 CO 0.41 0.07 0.50 0.16 -1.32 0.00 0.00 175.29 175.11 2jnj s ASP 40 N -0.78 6.70 -0.25 12.60 -4.77 -1.26 -1.95 116.67 126.95 2jnj s ASP 40 Ca -0.04 0.83 0.02 0.00 -3.30 0.00 0.00 52.55 50.06 2jnj s ASP 40 Cb -0.06 -2.30 0.06 0.00 -1.09 0.00 0.00 42.92 39.54 2jnj s ASP 40 CO -0.00 -0.02 -0.06 0.27 0.70 0.00 0.00 175.17 176.06 2jnj s ILE 41 N 0.72 1.78 -0.13 2.11 -4.36 0.26 -4.70 121.20 116.88 2jnj s ILE 41 Ca 0.27 -1.45 0.00 0.00 -0.26 0.00 0.00 60.65 59.21 2jnj s ILE 41 Cb -0.15 -2.02 0.00 0.00 1.25 0.00 0.00 42.46 41.54 2jnj s ILE 41 CO 0.11 -0.13 0.00 -0.67 0.24 0.00 0.00 174.94 174.49 2jnj n ASP 42 N 4.56 -4.19 -1.54 4.36 2.03 -1.26 -0.23 116.55 120.28 2jnj n ASP 42 Ca -0.11 0.03 -0.15 0.00 0.52 0.00 0.00 54.79 55.08 2jnj n ASP 42 Cb 0.43 -1.80 -0.06 0.00 -0.72 0.00 0.00 41.12 38.97 2jnj n ASP 42 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2jnj n ASP 43 N -0.26 -4.00 0.00 1.67 -0.08 -1.26 -4.54 116.55 108.09 2jnj n ASP 43 Ca -0.01 0.34 0.00 0.00 -1.51 0.00 0.00 54.79 53.61 2jnj n ASP 43 Cb 0.21 -3.64 0.00 0.00 2.34 0.00 0.00 41.12 40.04 2jnj n ASP 43 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 2jnj n THR 44 N -2.16 0.00 -4.36 5.18 -1.04 -1.20 -4.59 114.28 106.12 2jnj n THR 44 Ca -0.15 -0.02 -0.32 0.00 -2.04 0.00 0.00 64.05 61.52 2jnj n THR 44 Cb 0.51 0.29 -0.10 0.00 -1.82 0.00 0.00 70.33 69.21 2jnj n THR 44 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 2jnj s HIS 45 N -0.29 2.93 0.00 -1.42 3.76 0.68 -4.02 115.29 116.93 2jnj s HIS 45 Ca 0.00 -0.02 0.03 0.00 -0.15 0.00 0.00 55.06 54.92 2jnj s HIS 45 Cb 0.00 -1.60 -0.01 0.00 1.11 0.00 0.00 32.58 32.08 2jnj s HIS 45 CO 0.00 0.41 -0.11 0.08 -0.85 0.00 0.00 174.74 174.27 2jnj s VAL 46 N -1.07 0.86 -0.23 -0.90 1.01 -0.60 -0.57 120.40 118.89 2jnj s VAL 46 Ca 0.19 -0.56 -0.10 0.00 0.00 0.00 0.00 61.98 61.51 2jnj s VAL 46 Cb -0.11 -0.74 -0.05 0.00 0.00 0.00 0.00 36.38 35.48 2jnj s VAL 46 CO 0.10 0.17 0.14 0.12 0.00 0.00 0.00 175.10 175.62 2jnj s PHE 47 N -0.39 3.30 0.01 5.22 2.19 -0.82 -1.13 117.98 126.36 2jnj s PHE 47 Ca 0.03 0.18 0.02 0.00 0.33 0.00 0.00 56.93 57.49 2jnj s PHE 47 Cb -0.05 -2.22 -0.01 0.00 -1.31 0.00 0.00 43.02 39.43 2jnj s PHE 47 CO -0.00 0.08 -0.07 0.54 1.83 0.00 0.00 175.22 177.60 2jnj s VAL 48 N 0.90 0.51 0.40 3.12 0.11 -0.61 -1.28 120.40 123.55 2jnj s VAL 48 Ca 0.07 -0.53 -0.23 0.00 -2.93 0.00 0.00 61.98 58.36 2jnj s VAL 48 Cb -0.13 -0.48 -0.09 0.00 -1.53 0.00 0.00 36.38 34.15 2jnj s VAL 48 CO 0.03 -0.03 1.02 -0.51 -3.33 0.00 0.00 175.10 172.28 2jnj s ILE 49 N -0.53 3.90 0.37 7.04 2.07 -1.25 0.13 121.20 132.93 2jnj s ILE 49 Ca -0.01 1.40 0.08 0.00 -1.41 0.00 0.00 60.65 60.71 2jnj s ILE 49 Cb -0.05 -3.70 0.16 0.00 0.13 0.00 0.00 42.46 39.01 2jnj s ILE 49 CO 0.00 -0.04 1.91 0.00 -1.91 0.00 0.00 174.94 174.89 2jnj h ALA 50 N 2.42 1.47 -0.31 1.50 0.00 -1.88 -3.02 119.26 119.44 2jnj h ALA 50 Ca -0.48 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.23 2jnj h ALA 50 Cb 1.21 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 2jnj h ALA 50 CO 0.62 0.37 0.21 0.93 0.00 0.00 0.00 179.25 181.38 2jnj h GLU 51 N 0.31 0.39 -0.07 0.00 4.39 -1.99 -2.79 114.58 114.82 2jnj h GLU 51 Ca 0.06 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.74 2jnj h GLU 51 Cb 0.35 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 2jnj h GLU 51 CO 0.02 0.26 0.00 1.47 -1.16 0.00 0.00 179.01 179.60 2jnj n LEU 52 N -4.49 2.35 0.20 1.33 -0.00 -1.16 -4.63 117.00 110.59 2jnj n LEU 52 Ca 0.02 -2.32 0.05 0.00 -0.00 0.00 0.00 56.01 53.76 2jnj n LEU 52 Cb 0.08 -0.17 0.40 0.00 -0.00 0.00 0.00 43.42 43.73 2jnj n LEU 52 CO 0.35 0.59 0.73 1.62 -0.00 0.00 0.00 177.39 180.69 2jnj h VAL 53 N 0.43 1.04 -0.89 1.47 3.04 -1.37 -2.94 116.25 117.02 2jnj h VAL 53 Ca 0.00 -1.30 0.18 0.00 -1.01 0.00 0.00 66.70 64.57 2jnj h VAL 53 Cb 0.71 1.75 -0.07 0.00 -2.01 0.00 0.00 31.29 31.67 2jnj h VAL 53 CO 0.01 0.34 0.58 -0.55 -1.01 0.00 0.00 177.57 176.95 2jnj h ASN 54 N 0.00 0.51 0.18 3.17 -1.07 -1.82 0.16 115.58 116.71 2jnj h ASN 54 Ca -0.00 0.05 -0.14 0.00 0.07 0.00 0.00 56.30 56.27 2jnj h ASN 54 Cb 0.72 -0.05 -0.01 0.00 -2.07 0.00 0.00 38.32 36.91 2jnj h ASN 54 CO 0.05 0.22 -0.51 -0.37 0.07 0.00 0.00 177.43 176.89 2jnj h VAL 55 N 0.52 1.34 -0.38 6.14 -1.51 -1.88 -2.20 116.25 118.28 2jnj h VAL 55 Ca 0.46 -1.76 -0.09 0.00 -1.23 0.00 0.00 66.70 64.09 2jnj h VAL 55 Cb 0.99 1.80 -0.01 0.00 -2.13 0.00 0.00 31.29 31.93 2jnj h VAL 55 CO -0.20 0.53 -0.10 -0.07 -1.23 0.00 0.00 177.57 176.51 2jnj h LEU 56 N 0.29 0.75 -0.44 4.19 -0.00 -1.12 -2.14 115.31 116.84 2jnj h LEU 56 Ca 0.01 -0.36 0.00 0.00 -0.00 0.00 0.00 57.88 57.53 2jnj h LEU 56 Cb 1.00 -0.21 -0.02 0.00 -0.00 0.00 0.00 40.66 41.44 2jnj h LEU 56 CO 0.09 0.94 0.29 -0.61 -0.00 0.00 0.00 178.44 179.15 2jnj h GLN 57 N 0.55 0.59 -0.10 1.13 5.75 -0.48 0.30 115.11 122.85 2jnj h GLN 57 Ca 0.10 -0.04 -0.13 0.00 -0.15 0.00 0.00 58.65 58.43 2jnj h GLN 57 Cb 0.62 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 29.02 2jnj h GLN 57 CO 0.04 0.39 -0.52 1.05 -2.65 0.00 0.00 178.83 177.14 2jnj h GLU 58 N 0.60 0.27 -0.27 1.69 4.11 -1.42 0.17 114.58 119.73 2jnj h GLU 58 Ca 0.16 -0.16 -0.04 0.00 0.07 0.00 0.00 59.36 59.39 2jnj h GLU 58 Cb -0.06 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 2jnj h GLU 58 CO -0.03 0.73 0.02 -0.09 0.07 0.00 0.00 179.01 179.71 2jnj h ARG 59 N 0.21 0.47 -0.03 1.06 1.12 -0.71 0.16 114.38 116.66 2jnj h ARG 59 Ca 0.01 -0.14 -0.24 0.00 -1.11 0.00 0.00 59.98 58.50 2jnj h ARG 59 Cb 0.99 -0.05 0.01 0.00 -0.01 0.00 0.00 29.97 30.92 2jnj h ARG 59 CO 0.08 0.60 -0.95 0.28 -3.11 0.00 0.00 179.97 176.87 2jnj h VAL 60 N 0.27 1.32 0.00 0.20 2.07 -0.81 -2.13 116.25 117.17 2jnj h VAL 60 Ca 0.08 -2.24 -0.05 0.00 0.82 0.00 0.00 66.70 65.31 2jnj h VAL 60 Cb 0.38 2.30 -0.01 0.00 -1.52 0.00 0.00 31.29 32.44 2jnj h VAL 60 CO 0.01 0.69 -0.29 1.23 0.02 0.00 0.00 177.57 179.23 2jnj h GLY 61 N 0.71 0.00 0.09 2.17 0.00 -0.64 -3.42 103.07 101.98 2jnj h GLY 61 Ca -0.10 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 46.97 2jnj h GLY 61 CO 0.18 0.00 -1.42 1.18 0.00 0.00 0.00 176.54 176.48 2jnj n GLU 62 N -4.61 0.59 -0.13 4.80 -0.58 0.47 -4.70 120.64 116.49 2jnj n GLU 62 Ca -0.12 0.52 -0.12 0.00 -0.42 0.00 0.00 57.16 57.02 2jnj n GLU 62 Cb 0.41 -1.73 -0.02 0.00 -0.57 0.00 0.00 31.44 29.52 2jnj n GLU 62 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2jnj h LEU 63 N -0.84 0.87 -1.45 -4.62 6.46 -0.63 -1.12 115.31 113.97 2jnj h LEU 63 Ca -0.37 -0.41 0.08 0.00 -0.12 0.00 0.00 57.88 57.05 2jnj h LEU 63 Cb 1.42 -0.24 -0.04 0.00 -0.73 0.00 0.00 40.66 41.07 2jnj h LEU 63 CO -0.18 1.09 0.45 0.00 -0.62 0.00 0.00 178.44 179.19 2jnj h MET 64 N 0.66 0.63 0.02 1.25 -0.00 -1.71 -3.10 114.93 112.67 2jnj h MET 64 Ca 0.09 -0.04 -0.35 0.00 -0.00 0.00 0.00 59.70 59.40 2jnj h MET 64 Cb 0.77 -0.14 -0.05 0.00 -0.00 0.00 0.00 31.60 32.18 2jnj h MET 64 CO 0.06 0.42 -1.94 -3.47 -0.00 0.00 0.00 176.91 171.97 2jnj n ASP 65 N -4.48 1.95 -4.10 -0.10 2.03 -1.08 -5.03 116.55 105.73 2jnj n ASP 65 Ca 0.10 0.30 -0.09 0.00 0.52 0.00 0.00 54.79 55.62 2jnj n ASP 65 Cb 0.27 -0.84 -0.10 0.00 -0.72 0.00 0.00 41.12 39.73 2jnj n ASP 65 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jnj s GLN 66 N -2.46 0.65 -0.73 -0.67 1.03 -0.45 -4.90 119.66 112.14 2jnj s GLN 66 Ca -0.32 -1.15 -0.01 0.00 0.04 0.00 0.00 55.36 53.92 2jnj s GLN 66 Cb 0.09 0.00 0.00 0.00 0.03 0.00 0.00 33.01 33.14 2jnj s GLN 66 CO 0.59 -0.06 0.69 -1.71 -2.54 0.00 0.00 175.29 172.26 2jnj n ASN 67 N 0.35 -7.78 -3.99 12.60 4.05 -1.26 -3.17 115.26 116.06 2jnj n ASN 67 Ca -0.15 -0.05 -0.41 0.00 0.45 0.00 0.00 54.58 54.41 2jnj n ASN 67 Cb 0.60 -5.28 -0.02 0.00 1.23 0.00 0.00 39.78 36.31 2jnj n ASN 67 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2jnj n ALA 68 N -1.71 4.24 -2.43 5.20 0.00 -1.26 -4.41 120.51 120.14 2jnj n ALA 68 Ca 0.00 -3.67 -0.38 0.00 0.00 0.00 0.00 53.44 49.40 2jnj n ALA 68 Cb 0.50 -3.57 -0.03 0.00 0.00 0.00 0.00 19.45 16.35 2jnj n ALA 68 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2jnj s PHE 69 N 4.60 2.38 -0.29 0.00 5.36 -1.26 -4.94 117.98 123.83 2jnj s PHE 69 Ca 0.53 -0.57 -0.23 0.00 -0.96 0.00 0.00 56.93 55.70 2jnj s PHE 69 Cb 0.10 -4.53 -0.01 0.00 -0.34 0.00 0.00 43.02 38.25 2jnj s PHE 69 CO 0.02 -1.83 0.75 -1.12 -1.46 0.00 0.00 175.22 171.57 2jnj s SER 70 N 5.60 6.65 -0.11 6.13 0.01 -1.26 -4.86 113.70 125.86 2jnj s SER 70 Ca 0.54 0.70 0.14 0.00 1.31 0.00 0.00 55.95 58.63 2jnj s SER 70 Cb -0.01 -2.39 0.28 0.00 0.21 0.00 0.00 66.02 64.11 2jnj s SER 70 CO -0.04 -0.54 1.14 0.00 0.41 0.00 0.00 173.24 174.21 2jnj n LEU 71 N 6.04 1.83 0.02 2.44 -0.00 -1.24 -4.64 117.00 121.44 2jnj n LEU 71 Ca 0.03 -2.76 0.11 0.00 -0.00 0.00 0.00 56.01 53.38 2jnj n LEU 71 Cb 0.48 -0.32 0.46 0.00 -0.00 0.00 0.00 43.42 44.04 2jnj n LEU 71 CO 0.48 0.77 0.85 1.07 -0.00 0.00 0.00 177.39 180.56 2jnj n THR 72 N -0.86 0.53 0.03 1.47 5.66 -0.88 -3.85 114.28 116.38 2jnj n THR 72 Ca 0.12 0.10 0.00 0.00 -3.05 0.00 0.00 64.05 61.22 2jnj n THR 72 Cb 0.72 -0.77 0.00 0.00 -1.55 0.00 0.00 70.33 68.73 2jnj n THR 72 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 175.07 173.69 2jnj n GLN 73 N -1.62 0.00 0.00 1.09 -0.06 -1.26 -4.84 117.38 110.68 2jnj n GLN 73 Ca 0.05 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.05 2jnj n GLN 73 Cb 0.27 -0.31 0.00 0.00 -4.06 0.00 0.00 30.24 26.14 2jnj n GLN 73 CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03